Density Functional Theory (DFT) and Experimental Evidences of Metal–Support Interaction in Platinum Nanoparticles Supported on Nitrogen- and Sulfur-Doped Mesoporous Carbons: Synthesis, Activity, and Stability

ACS Catalysis ◽  
2018 ◽  
Vol 8 (2) ◽  
pp. 1122-1137 ◽  
Author(s):  
Valentina Perazzolo ◽  
Riccardo Brandiele ◽  
Christian Durante ◽  
Mirco Zerbetto ◽  
Valerio Causin ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Platinum Nanoparticles ◽  
Density Functional ◽  
Mesoporous Carbons ◽  
Functional Theory ◽  
Support Interaction ◽  
Metal Support Interaction ◽  
Metal Support ◽  
Synthesis Activity

Density functional theory study on the metal–support interaction between a Au9 cluster and an anatase TiO2(001) surface

2017 ◽  
Vol 19 (33) ◽  
pp. 22069-22077 ◽  
Author(s):  
Zong-You Jiang ◽  
Zong-Yan Zhao
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Density Functional ◽  
Anatase Tio2 ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Adsorption Sites ◽  
Support Interaction ◽  
Metal Support Interaction ◽  
Metal Support

The microstructure and electronic structure of three different Au9 isomers loaded on anatase TiO2(001) surface were studied. The adsorption energy of Au9 2D configuration is larger than that of 3D configuration, owing to the stronger interactions with more adsorption sites.

Effect of the Metal–Support Interaction on the Adsorption of NO on Pd4/γ-Al2O3: A Density Functional Theory and Natural Bond Orbital Study

2017 ◽  
Vol 121 (26) ◽  
pp. 14147-14155 ◽  
Author(s):  
Letícia M. Prates ◽  
Glaucio B. Ferreira ◽  
José W. de M. Carneiro ◽  
Wagner B. de Almeida ◽  
Maurício T. de M. Cruz
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Natural Bond Orbital ◽  
Functional Theory ◽  
Support Interaction ◽  
Orbital Study ◽  
Metal Support Interaction ◽  
Metal Support

Pt NPs immobilized on a N-doped graphene@Al2O3 hybrid support as robust catalysts for low temperature CO oxidation

2018 ◽  
Vol 54 (79) ◽  
pp. 11168-11171 ◽  
Author(s):  
Zhimin Jia ◽  
Fei Huang ◽  
Jiangyong Diao ◽  
Jiayun Zhang ◽  
Jia Wang ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Low Temperature ◽  
Co Oxidation ◽  
Platinum Nanoparticles ◽  
Support Interaction ◽  
Metal Support Interaction ◽  
Metal Support ◽  
Low Temperature Co Oxidation ◽  
Doped Graphene ◽  
Strong Metal Support Interaction

Platinum nanoparticles (Pt NPs) immobilized on a N-doped graphene@Al2O3 hybrid support (Al2O3@CNx) were synthesized and exhibit superior catalytic activity for low temperature CO oxidation, due to a strong metal–support interaction between Pt NPs and the N-doped.

scholarly journals Room-Temperature CO Oxidation Catalyst: Low-Temperature Metal–Support Interaction between Platinum Nanoparticles and Nanosized Ceria

ACS Catalysis ◽  
2016 ◽  
Vol 6 (9) ◽  
pp. 6151-6155 ◽  
Author(s):  
Suresh Gatla ◽  
Daniel Aubert ◽  
Giovanni Agostini ◽  
Olivier Mathon ◽  
Sakura Pascarelli ◽  
...  
Keyword(s):  
Low Temperature ◽  
Co Oxidation ◽  
Platinum Nanoparticles ◽  
Room Temperature ◽  
Oxidation Catalyst ◽  
Support Interaction ◽  
Metal Support Interaction ◽  
Metal Support

Quenched solid density functional theory method for characterization of mesoporous carbons by nitrogen adsorption

Carbon ◽  
2012 ◽  
Vol 50 (4) ◽  
pp. 1583-1590 ◽  
Author(s):  
Gennady Yu. Gor ◽  
Matthias Thommes ◽  
Katie A. Cychosz ◽  
Alexander V. Neimark
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Method ◽  
Nitrogen Adsorption ◽  
Theory Method ◽  
Mesoporous Carbons ◽  
Functional Theory ◽  
Solid Density
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